| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3676936
Max Phase: Preclinical
Molecular Formula: C13H15N3O2S
Molecular Weight: 277.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1CCN(C(=O)Oc2nsc3ncccc23)CC1
Standard InChI: InChI=1S/C13H15N3O2S/c1-9-4-7-16(8-5-9)13(17)18-11-10-3-2-6-14-12(10)19-15-11/h2-3,6,9H,4-5,7-8H2,1H3
Standard InChI Key: BKZYFLXAEJOXJL-UHFFFAOYSA-N
Associated Targets(non-human)
Hormone-sensitive lipase 209 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 277.35 | Molecular Weight (Monoisotopic): 277.0885 | AlogP: 2.92 | #Rotatable Bonds: 1 |
| Polar Surface Area: 55.32 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.64 | CX LogD: 2.64 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.80 | Np Likeness Score: -1.63 |
References
| 1. (2014) Azole derivatives in the form of lipase and phospholipase inhibitors, |
Source
Source(1):